![ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate structure](/static/products/4655/465513-79-5.webp)
ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate (CAS 465513-79-5) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.80152 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 985.21277 |
Chemical Identifiers
| CAS Number | 465513-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C\C2=CC(=C(C=C2)O)OC)/C#N |
Product Overview
ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate (CAS 465513-79-5), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: ethyl 2-[[(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.80152 indicates that ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate is 465513-79-5.
What is the molecular formula of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate is C20H20N2O5S.
What is the molecular weight of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate is 400.11 g/mol.
Where can I buy ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.